CID 3040884

Brn 0832630

Structural Information

Molecular Formula
C15H15N3O3S
SMILES
CCSC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O
InChI
InChI=1S/C15H15N3O3S/c1-2-22-11-5-3-10(4-6-11)13(19)15(21)18-14(20)12-9-16-7-8-17-12/h3-9,15,21H,2H2,1H3,(H,18,20)
InChIKey
BRGQMYPOGWYJRF-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylsulfanylphenyl)-1-hydroxy-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09068 171.0
[M+Na]+ 340.07262 176.3
[M-H]- 316.07612 173.5
[M+NH4]+ 335.11722 181.5
[M+K]+ 356.04656 171.9
[M+H-H2O]+ 300.08066 162.0
[M+HCOO]- 362.08160 184.8
[M+CH3COO]- 376.09725 204.2
[M+Na-2H]- 338.05807 172.3
[M]+ 317.08285 172.3
[M]- 317.08395 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.